2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-5-nitro-pyrimidin-4-amine Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-5-nitro-pyrimidin-4-amine CAS Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-5-nitro-4-pyrimidinamine IUPAC Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-5-nitropyrimidin-4-amine Traditional Name: [2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyrimidin-4-yl]-cyclopropyl-amine Formula: C18H16ClN7O2S MolecularWeight: 429.88334

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H16ClN7O2S/c1-2-9-25-16(11-3-5-12(19)6-4-11)23-24-18(25)29-17-20-10-14(26(27)28)15(22-17)21-13-7-8-13/h2-6,10,13H,1,7-9H2,(H,20,21,22)