1-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

Systemtic Name: 1-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one Openeye Name: 1-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(1,3,3-trimethylindolin-2-ylidene)propan-2-one CAS Name: 1-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-3-(1,3,3-trimethyl-2-indolylidene)-2-propanone IUPAC Name: 1-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one Traditional Name: 1-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-3-(1,3,3-trimethylindolin-2-ylidene)acetone Formula: C21H22N6OS MolecularWeight: 406.50398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4)C)C

InChI

InChI=1S/C21H22N6OS/c1-21(2)16-8-4-5-9-17(16)26(3)18(21)11-15(28)13-29-20-25-24-19(27(20)22)14-7-6-10-23-12-14/h4-12H,13,22H2,1-3H3