3-methyl-N-propan-2-yl-N-prop-2-enyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane

Systemtic Name: 3-methyl-N-propan-2-yl-N-prop-2-enyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane Openeye Name: N-allyl-N-isopropyl-3-methyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane CAS Name: 3-methyl-N-propan-2-yl-N-prop-2-enyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane IUPAC Name: 3-methyl-N-propan-2-yl-N-prop-2-enyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane Traditional Name: N-allyl-N-isopropyl-3-methyl-1,2,4-triazole-1-carboxamide; 1-(sulfinoamino)butane Formula: C14H27N5O3S MolecularWeight: 345.46088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)O.CC1=NN(C=N1)C(=O)N(CC=C)C(C)C

Isomeric SMILES

CCCCNS(=O)O.CC1=NN(C=N1)C(=O)N(CC=C)C(C)C

InChI

InChI=1S/C10H16N4O.C4H11NO2S/c1-5-6-13(8(2)3)10(15)14-7-11-9(4)12-14;1-2-3-4-5-8(6)7/h5,7-8H,1,6H2,2-4H3;5H,2-4H2,1H3,(H,6,7)