6-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 6-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 6-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 6-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SC3=NC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SC3=NC=C(C=C3)C#N

InChI

InChI=1S/C18H15N5OS/c1-3-10-23-17(14-6-4-5-7-15(14)24-2)21-22-18(23)25-16-9-8-13(11-19)12-20-16/h3-9,12H,1,10H2,2H3